2-(3,4-diethoxyphenyl)-1-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanone

Systemtic Name: 2-(3,4-diethoxyphenyl)-1-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanone Openeye Name: 2-(3,4-diethoxyphenyl)-1-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanone CAS Name: 2-(3,4-diethoxyphenyl)-1-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanone IUPAC Name: 2-(3,4-diethoxyphenyl)-1-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanone Traditional Name: 2-(3,4-diethoxyphenyl)-1-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)ethanone Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)N2CCNC3=CC=CC=C3C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)N2CCNC3=CC=CC=C3C2)OCC

InChI

InChI=1S/C21H26N2O3/c1-3-25-19-10-9-16(13-20(19)26-4-2)14-21(24)23-12-11-22-18-8-6-5-7-17(18)15-23/h5-10,13,22H,3-4,11-12,14-15H2,1-2H3