(3S,5R)-5-but-3-enyl-1-[(4-phenylmethoxyphenyl)methyl]-3-(phenylmethyl)-1,4-diazepan-2-one

Systemtic Name: (3S,5R)-5-but-3-enyl-1-[(4-phenylmethoxyphenyl)methyl]-3-(phenylmethyl)-1,4-diazepan-2-one Openeye Name: (3S,5R)-3-benzyl-1-[(4-benzyloxyphenyl)methyl]-5-but-3-enyl-1,4-diazepan-2-one CAS Name: (3S,5R)-5-but-3-enyl-1-[(4-phenylmethoxyphenyl)methyl]-3-(phenylmethyl)-1,4-diazepan-2-one IUPAC Name: (3S,5R)-3-benzyl-5-but-3-enyl-1-[(4-phenylmethoxyphenyl)methyl]-1,4-diazepan-2-one Traditional Name: (3S,5R)-1-(4-benzoxybenzyl)-3-benzyl-5-but-3-enyl-1,4-diazepan-2-one Formula: C30H34N2O2 MolecularWeight: 454.60316

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1CCN(C(=O)C(N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C=CCC[C@@H]1CCN(C(=O)[C@@H](N1)CC2=CC=CC=C2)CC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C30H34N2O2/c1-2-3-14-27-19-20-32(30(33)29(31-27)21-24-10-6-4-7-11-24)22-25-15-17-28(18-16-25)34-23-26-12-8-5-9-13-26/h2,4-13,15-18,27,29,31H,1,3,14,19-23H2/t27-,29+/m1/s1