2-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-7-chloranyl-4-methyl-3H-1,4-benzodiazepin-5-one

Systemtic Name: 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-7-chloranyl-4-methyl-3H-1,4-benzodiazepin-5-one Openeye Name: 7-chloro-2-[2-(3,4-dibenzyloxyphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one CAS Name: 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-7-chloro-4-methyl-3H-1,4-benzodiazepin-5-one IUPAC Name: 2-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-7-chloro-4-methyl-3H-1,4-benzodiazepin-5-one Traditional Name: 7-chloro-2-[2-(3,4-dibenzoxyphenyl)ethylamino]-4-methyl-3H-1,4-benzodiazepin-5-one Formula: C32H30ClN3O3 MolecularWeight: 540.0519

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=NC2=C(C1=O)C=C(C=C2)Cl)NCCC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CN1CC(=NC2=C(C1=O)C=C(C=C2)Cl)NCCC3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H30ClN3O3/c1-36-20-31(35-28-14-13-26(33)19-27(28)32(36)37)34-17-16-23-12-15-29(38-21-24-8-4-2-5-9-24)30(18-23)39-22-25-10-6-3-7-11-25/h2-15,18-19H,16-17,20-22H2,1H3,(H,34,35)