11-(3-azanylpropyl)-1,2-dimethyl-5H-benzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 11-(3-azanylpropyl)-1,2-dimethyl-5H-benzo[b][1,4]benzodiazepin-6-one Openeye Name: 11-(3-aminopropyl)-1,2-dimethyl-5H-benzo[b][1,4]benzodiazepin-6-one CAS Name: 11-(3-aminopropyl)-1,2-dimethyl-5H-benzo[b][1,4]benzodiazepin-6-one IUPAC Name: 11-(3-aminopropyl)-1,2-dimethyl-5H-benzo[b][1,4]benzodiazepin-6-one Traditional Name: 11-(3-aminopropyl)-1,2-dimethyl-5H-benzo[b][1,4]benzodiazepin-6-one Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=O)C3=CC=CC=C3N2CCCN)C

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=O)C3=CC=CC=C3N2CCCN)C

InChI

InChI=1S/C18H21N3O/c1-12-8-9-15-17(13(12)2)21(11-5-10-19)16-7-4-3-6-14(16)18(22)20-15/h3-4,6-9H,5,10-11,19H2,1-2H3,(H,20,22)