4-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]methyl]-3-nitro-benzamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N5O3/c22-13-16-2-4-17(5-3-16)14-24-8-1-9-25(11-10-24)15-19-7-6-18(21(23)27)12-20(19)26(28)29/h2-7,12H,1,8-11,14-15H2,(H2,23,27)