ethyl 2-phenyl-2-[4-[4-[(2-phenylphenyl)carbonylamino]phenyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: ethyl 2-phenyl-2-[4-[4-[(2-phenylphenyl)carbonylamino]phenyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: ethyl 2-phenyl-2-[4-[4-[(2-phenylbenzoyl)amino]phenyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[4-[[oxo-(2-phenylphenyl)methyl]amino]phenyl]-1,4-diazepan-1-yl]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl 2-phenyl-2-[4-[4-[(2-phenylbenzoyl)amino]phenyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-phenyl-2-[4-[4-[(2-phenylbenzoyl)amino]phenyl]-1,4-diazepan-1-yl]acetic acid ethyl ester Formula: C34H35N3O3 MolecularWeight: 533.66

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)N2CCCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)N2CCCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C34H35N3O3/c1-2-40-34(39)32(27-14-7-4-8-15-27)37-23-11-22-36(24-25-37)29-20-18-28(19-21-29)35-33(38)31-17-10-9-16-30(31)26-12-5-3-6-13-26/h3-10,12-21,32H,2,11,22-25H2,1H3,(H,35,38)