[1-(4-bromophenyl)carbonylpiperidin-4-yl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: [1-(4-bromophenyl)carbonylpiperidin-4-yl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: [1-(4-bromobenzoyl)-4-piperidyl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: [1-[(4-bromophenyl)-oxomethyl]-4-piperidinyl]-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: [1-(4-bromobenzoyl)piperidin-4-yl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: [1-(4-bromobenzoyl)-4-piperidyl]-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C24H30BrN3O2 MolecularWeight: 472.4179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H30BrN3O2/c1-26-14-5-7-21(26)22-6-3-2-4-15-28(22)24(30)19-12-16-27(17-13-19)23(29)18-8-10-20(25)11-9-18/h5,7-11,14,19,22H,2-4,6,12-13,15-17H2,1H3