2-azanyl-3-(4-bromophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile

Systemtic Name: 2-azanyl-3-(4-bromophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile Openeye Name: 2-amino-3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile CAS Name: 2-amino-3-[(4-bromophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile IUPAC Name: 2-amino-3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile Traditional Name: 2-amino-3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-1-carbonitrile Formula: C17H16BrN3O MolecularWeight: 358.23244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=C(N2CC1)C(=O)C3=CC=C(C=C3)Br)N)C#N

Isomeric SMILES

C1CCC2=C(C(=C(N2CC1)C(=O)C3=CC=C(C=C3)Br)N)C#N

InChI

InChI=1S/C17H16BrN3O/c18-12-7-5-11(6-8-12)17(22)16-15(20)13(10-19)14-4-2-1-3-9-21(14)16/h5-8H,1-4,9,20H2