N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-2-[(E)-prop-1-enyl]pyridine-3-carboxamide; bicyclo[2.2.0]hexa-1(4),2,5-triene; N-methylmethanamine; dihydrochloride

Systemtic Name: N-[4-azanyl-3,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]-2-[(E)-prop-1-enyl]pyridine-3-carboxamide; bicyclo[2.2.0]hexa-1(4),2,5-triene; N-methylmethanamine; dihydrochloride Openeye Name: N-(3-amino-1-benzyl-2,3-dioxo-propyl)-2-[(E)-prop-1-enyl]pyridine-3-carboxamide; bicyclo[2.2.0]hexa-1(4),2,5-triene; N-methylmethanamine; dihydrochloride CAS Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[(E)-prop-1-enyl]-3-pyridinecarboxamide; bicyclo[2.2.0]hexa-1(4),2,5-triene; N-methylmethanamine; dihydrochloride IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[(E)-prop-1-enyl]pyridine-3-carboxamide; bicyclo[2.2.0]hexa-1(4),2,5-triene; N-methylmethanamine; dihydrochloride Traditional Name: N-(3-amino-1-benzyl-2,3-diketo-propyl)-2-[(E)-prop-1-enyl]nicotinamide; bicyclo[2.2.0]hexa-1(4),2,5-triene; dimethylamine; dihydrochloride Formula: C27H32Cl2N4O3 MolecularWeight: 531.47398

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(C=CC=N1)C(=O)NC(CC2=CC=CC=C2)C(=O)C(=O)N.CNC.C1=CC2=C1C=C2.Cl.Cl

Isomeric SMILES

C/C=C/C1=C(C=CC=N1)C(=O)NC(CC2=CC=CC=C2)C(=O)C(=O)N.CNC.C1=CC2=C1C=C2.Cl.Cl

InChI

InChI=1S/C19H19N3O3.C6H4.C2H7N.2ClH/c1-2-7-15-14(10-6-11-21-15)19(25)22-16(17(23)18(20)24)12-13-8-4-3-5-9-13;1-2-6-4-3-5(1)6;1-3-2;;/h2-11,16H,12H2,1H3,(H2,20,24)(H,22,25);1-4H;3H,1-2H3;2*1H/b7-2+;;;;