7,8-diethoxy-5-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7,8-diethoxy-5-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7,8-diethoxy-5-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7,8-diethoxy-5-[4-[3-(1-pyrrolidinyl)propyl]phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7,8-diethoxy-5-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7,8-diethoxy-5-[4-(3-pyrrolidinopropyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CCCN4CCCC4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NCC(=O)N2)C3=CC=C(C=C3)CCCN4CCCC4)OCC

InChI

InChI=1S/C26H33N3O3/c1-3-31-23-16-21-22(17-24(23)32-4-2)28-25(30)18-27-26(21)20-11-9-19(10-12-20)8-7-15-29-13-5-6-14-29/h9-12,16-17H,3-8,13-15,18H2,1-2H3,(H,28,30)