4-[[4-[2,3-bis(azanyl)phenyl]carbonylpiperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2,3-bis(azanyl)phenyl]carbonylpiperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,3-diaminobenzoyl)-1-piperidyl]methyl]benzonitrile CAS Name: 4-[[4-[(2,3-diaminophenyl)-oxomethyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,3-diaminobenzoyl)piperidin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,3-diaminobenzoyl)piperidino]methyl]benzonitrile Formula: C20H22N4O MolecularWeight: 334.41488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=C(C(=CC=C2)N)N)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)C2=C(C(=CC=C2)N)N)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22N4O/c21-12-14-4-6-15(7-5-14)13-24-10-8-16(9-11-24)20(25)17-2-1-3-18(22)19(17)23/h1-7,16H,8-11,13,22-23H2