(2-chloranyl-6-oxidanylidene-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5-yl)methyl ethanoate

Systemtic Name: (2-chloranyl-6-oxidanylidene-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5-yl)methyl ethanoate Openeye Name: (2-chloro-6-oxo-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5-yl)methyl acetate CAS Name: acetic acid (2-chloro-6-oxo-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5-yl)methyl ester IUPAC Name: (2-chloro-6-oxo-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5-yl)methyl acetate Traditional Name: acetic acid (2-chloro-6-keto-7,9,10,14b-tetrahydroisoquinolino[2,1-d][1,4]benzodiazepin-5-yl)methyl ester Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl

Isomeric SMILES

CC(=O)OCN1C(=O)CN2CCC3=CC=CC=C3C2C4=C1C=CC(=C4)Cl

InChI

InChI=1S/C20H19ClN2O3/c1-13(24)26-12-23-18-7-6-15(21)10-17(18)20-16-5-3-2-4-14(16)8-9-22(20)11-19(23)25/h2-7,10,20H,8-9,11-12H2,1H3