N-but-3-yn-2-yl-4-(2-chlorophenyl)-1,3-dimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine

Systemtic Name: N-but-3-yn-2-yl-4-(2-chlorophenyl)-1,3-dimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine Openeye Name: 4-(2-chlorophenyl)-1,3-dimethyl-N-(1-methylprop-2-ynyl)-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine CAS Name: N-but-3-yn-2-yl-4-(2-chlorophenyl)-1,3-dimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine IUPAC Name: N-but-3-yn-2-yl-4-(2-chlorophenyl)-1,3-dimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-amine Traditional Name: [4-(2-chlorophenyl)-1,3-dimethyl-6H-pyrazolo[3,4-e][1,4]diazepin-7-yl]-(1-methylprop-2-ynyl)amine Formula: C18H18ClN5 MolecularWeight: 339.82202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NCC(=N2)NC(C)C#C)C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=NN(C2=C1C(=NCC(=N2)NC(C)C#C)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C18H18ClN5/c1-5-11(2)21-15-10-20-17(13-8-6-7-9-14(13)19)16-12(3)23-24(4)18(16)22-15/h1,6-9,11H,10H2,2-4H3,(H,21,22)