5-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-7,8-diethoxy-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-7,8-diethoxy-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-7,8-diethoxy-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-7,8-diethoxy-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-7,8-diethoxy-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 5-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]-7,8-diethoxy-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CN4CCC5=CC=CC=C5C4)OCC

InChI

InChI=1S/C29H31N3O3/c1-3-34-26-15-24-25(16-27(26)35-4-2)31-28(33)17-30-29(24)22-11-9-20(10-12-22)18-32-14-13-21-7-5-6-8-23(21)19-32/h5-12,15-16H,3-4,13-14,17-19H2,1-2H3,(H,31,33)