5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxy-phenol

Systemtic Name: 5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxy-phenol Openeye Name: 5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxy-phenol CAS Name: 5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol IUPAC Name: 5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxyphenol Traditional Name: 5-(8,9-diethoxy-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepin-4-yl)-2-methoxy-phenol Formula: C23H26N2O4 MolecularWeight: 394.46354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=C(C=C4)OC)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=C(C=C4)OC)O)OCC

InChI

InChI=1S/C23H26N2O4/c1-4-28-21-12-16-14-24-23(15-8-9-20(27-3)19(26)11-15)17-7-6-10-25(17)18(16)13-22(21)29-5-2/h6-13,23-24,26H,4-5,14H2,1-3H3