[4-(6H-pyrrolo[1,2-a][1,4]benzodiazepin-4-ylmethyl)phenyl] ethanoate

Systemtic Name: [4-(6H-pyrrolo[1,2-a][1,4]benzodiazepin-4-ylmethyl)phenyl] ethanoate Openeye Name: [4-(6H-pyrrolo[1,2-a][1,4]benzodiazepin-4-ylmethyl)phenyl] acetate CAS Name: acetic acid [4-(6H-pyrrolo[1,2-a][1,4]benzodiazepin-4-ylmethyl)phenyl] ester IUPAC Name: [4-(6H-pyrrolo[1,2-a][1,4]benzodiazepin-4-ylmethyl)phenyl] acetate Traditional Name: acetic acid [4-(6H-pyrrolo[1,2-a][1,4]benzodiazepin-4-ylmethyl)phenyl] ester Formula: C21H18N2O2 MolecularWeight: 330.37982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC2=NCC3=CC=CC=C3N4C2=CC=C4

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CC2=NCC3=CC=CC=C3N4C2=CC=C4

InChI

InChI=1S/C21H18N2O2/c1-15(24)25-18-10-8-16(9-11-18)13-19-21-7-4-12-23(21)20-6-3-2-5-17(20)14-22-19/h2-12H,13-14H2,1H3