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

Systemtic Name: methyl 2-phenyl-2-[4-[4-[(2-phenylphenyl)carbonylamino]phenyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C33H33N3O3 MolecularWeight: 519.63342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C33H33N3O3/c1-39-33(38)31(26-13-6-3-7-14-26)36-22-10-21-35(23-24-36)28-19-17-27(18-20-28)34-32(37)30-16-9-8-15-29(30)25-11-4-2-5-12-25/h2-9,11-20,31H,10,21-24H2,1H3,(H,34,37)