(4-bromanyl-1-cyclopropyl-pyrrol-2-yl)-(1,4-diazepan-1-yl)methanone

Systemtic Name: (4-bromanyl-1-cyclopropyl-pyrrol-2-yl)-(1,4-diazepan-1-yl)methanone Openeye Name: (4-bromo-1-cyclopropyl-pyrrol-2-yl)-(1,4-diazepan-1-yl)methanone CAS Name: (4-bromo-1-cyclopropyl-2-pyrrolyl)-(1,4-diazepan-1-yl)methanone IUPAC Name: (4-bromo-1-cyclopropylpyrrol-2-yl)-(1,4-diazepan-1-yl)methanone Traditional Name: (4-bromo-1-cyclopropyl-pyrrol-2-yl)-(1,4-diazepan-1-yl)methanone Formula: C13H18BrN3O MolecularWeight: 312.20552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=CN2C3CC3)Br

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=CN2C3CC3)Br

InChI

InChI=1S/C13H18BrN3O/c14-10-8-12(17(9-10)11-2-3-11)13(18)16-6-1-4-15-5-7-16/h8-9,11,15H,1-7H2