1-ethyl-7,8-dimethoxy-5-[3-(3-phenylmethoxyprop-1-ynyl)phenyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: 1-ethyl-7,8-dimethoxy-5-[3-(3-phenylmethoxyprop-1-ynyl)phenyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 5-[3-(3-benzyloxyprop-1-ynyl)phenyl]-1-ethyl-7,8-dimethoxy-3H-1,4-benzodiazepin-2-one CAS Name: 1-ethyl-7,8-dimethoxy-5-[3-(3-phenylmethoxyprop-1-ynyl)phenyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: 1-ethyl-7,8-dimethoxy-5-[3-(3-phenylmethoxyprop-1-ynyl)phenyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 5-[3-(3-benzoxyprop-1-ynyl)phenyl]-1-ethyl-7,8-dimethoxy-3H-1,4-benzodiazepin-2-one Formula: C29H28N2O4 MolecularWeight: 468.54362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC=CC(=C3)C#CCOCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC=CC(=C3)C#CCOCC4=CC=CC=C4

InChI

InChI=1S/C29H28N2O4/c1-4-31-25-18-27(34-3)26(33-2)17-24(25)29(30-19-28(31)32)23-14-8-12-21(16-23)13-9-15-35-20-22-10-6-5-7-11-22/h5-8,10-12,14,16-18H,4,15,19-20H2,1-3H3