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

Systemtic Name: methyl 4-[N-(2-chlorophenyl)-C-(4-phenethyl-1,4-diazepan-1-yl)carbonimidoyl]benzoate Openeye Name: methyl 4-[N-(2-chlorophenyl)-C-(4-phenethyl-1,4-diazepan-1-yl)carbonimidoyl]benzoate CAS Name: 4-[(2-chlorophenyl)imino-(4-phenethyl-1,4-diazepan-1-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[N-(2-chlorophenyl)-C-(4-phenethyl-1,4-diazepan-1-yl)carbonimidoyl]benzoate Traditional Name: 4-[N-(2-chlorophenyl)-C-(4-phenethyl-1,4-diazepan-1-yl)carbonimidoyl]benzoic acid methyl ester Formula: C28H30ClN3O2 MolecularWeight: 476.0097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClN3O2/c1-34-28(33)24-14-12-23(13-15-24)27(30-26-11-6-5-10-25(26)29)32-18-7-17-31(20-21-32)19-16-22-8-3-2-4-9-22/h2-6,8-15H,7,16-21H2,1H3