N-[5-(2-azanylethylcarbamoyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]morpholine-4-carboxamide

Systemtic Name: N-[5-(2-azanylethylcarbamoyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]morpholine-4-carboxamide Openeye Name: N-[5-(2-aminoethylcarbamoyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]morpholine-4-carboxamide CAS Name: N-[5-[(2-aminoethylamino)-oxomethyl]-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]-4-morpholinecarboxamide IUPAC Name: N-[5-(2-aminoethylcarbamoyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]morpholine-4-carboxamide Traditional Name: N-[5-(2-aminoethylcarbamoyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]morpholine-4-carboxamide Formula: C21H34N6O3 MolecularWeight: 418.53306

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=C(C=C(C=C2)C(=O)NCCN)NC(=O)N3CCOCC3

Isomeric SMILES

CN1CCCN(CC1)CC2=C(C=C(C=C2)C(=O)NCCN)NC(=O)N3CCOCC3

InChI

InChI=1S/C21H34N6O3/c1-25-7-2-8-26(10-9-25)16-18-4-3-17(20(28)23-6-5-22)15-19(18)24-21(29)27-11-13-30-14-12-27/h3-4,15H,2,5-14,16,22H2,1H3,(H,23,28)(H,24,29)