3-(4-bromophenyl)carbonyl-6-methyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazine-1-carbonitrile

Systemtic Name: 3-(4-bromophenyl)carbonyl-6-methyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazine-1-carbonitrile Openeye Name: 3-(4-bromobenzoyl)-6-methyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazine-1-carbonitrile CAS Name: 3-[(4-bromophenyl)-oxomethyl]-6-methyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazine-1-carbonitrile IUPAC Name: 3-(4-bromobenzoyl)-6-methyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazine-1-carbonitrile Traditional Name: 3-(4-bromobenzoyl)-6-methyl-1,2,3,10b-tetrahydropyrrolo[2,1-a]phthalazine-1-carbonitrile Formula: C20H16BrN3O MolecularWeight: 394.26454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(CC(C2C3=CC=CC=C13)C#N)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NN2C(CC(C2C3=CC=CC=C13)C#N)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H16BrN3O/c1-12-16-4-2-3-5-17(16)19-14(11-22)10-18(24(19)23-12)20(25)13-6-8-15(21)9-7-13/h2-9,14,18-19H,10H2,1H3