3-[4-[(4-chlorophenyl)-phenyl-methyl]-1,4-diazepan-1-yl]-N-(5-methyl-2-oxidanyl-phenyl)propanamide

Systemtic Name: 3-[4-[(4-chlorophenyl)-phenyl-methyl]-1,4-diazepan-1-yl]-N-(5-methyl-2-oxidanyl-phenyl)propanamide Openeye Name: 3-[4-[(4-chlorophenyl)-phenyl-methyl]-1,4-diazepan-1-yl]-N-(2-hydroxy-5-methyl-phenyl)propanamide CAS Name: 3-[4-[(4-chlorophenyl)-phenylmethyl]-1,4-diazepan-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide IUPAC Name: 3-[4-[(4-chlorophenyl)-phenylmethyl]-1,4-diazepan-1-yl]-N-(2-hydroxy-5-methylphenyl)propanamide Traditional Name: 3-[4-[(4-chlorophenyl)-phenyl-methyl]-1,4-diazepan-1-yl]-N-(2-hydroxy-5-methyl-phenyl)propionamide Formula: C28H32ClN3O2 MolecularWeight: 478.02558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=O)CCN2CCCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=O)CCN2CCCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H32ClN3O2/c1-21-8-13-26(33)25(20-21)30-27(34)14-17-31-15-5-16-32(19-18-31)28(22-6-3-2-4-7-22)23-9-11-24(29)12-10-23/h2-4,6-13,20,28,33H,5,14-19H2,1H3,(H,30,34)