4-[N-(2-chlorophenyl)-C-(4-phenethyl-1,4-diazepan-1-yl)carbonimidoyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[N-(2-chlorophenyl)-C-(4-phenethyl-1,4-diazepan-1-yl)carbonimidoyl]-N,N-diethyl-benzamide Openeye Name: 4-[N-(2-chlorophenyl)-C-(4-phenethyl-1,4-diazepan-1-yl)carbonimidoyl]-N,N-diethyl-benzamide CAS Name: 4-[(2-chlorophenyl)imino-(4-phenethyl-1,4-diazepan-1-yl)methyl]-N,N-diethylbenzamide IUPAC Name: 4-[N-(2-chlorophenyl)-C-(4-phenethyl-1,4-diazepan-1-yl)carbonimidoyl]-N,N-diethylbenzamide Traditional Name: 4-[N-(2-chlorophenyl)-C-(4-phenethyl-1,4-diazepan-1-yl)carbonimidoyl]-N,N-diethyl-benzamide Formula: C31H37ClN4O MolecularWeight: 517.10468

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(=NC2=CC=CC=C2Cl)N3CCCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(=NC2=CC=CC=C2Cl)N3CCCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C31H37ClN4O/c1-3-35(4-2)31(37)27-17-15-26(16-18-27)30(33-29-14-9-8-13-28(29)32)36-21-10-20-34(23-24-36)22-19-25-11-6-5-7-12-25/h5-9,11-18H,3-4,10,19-24H2,1-2H3