4-(5-bromanylthiophen-2-yl)carbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 4-(5-bromanylthiophen-2-yl)carbonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Openeye Name: 4-(5-bromothiophene-2-carbonyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one CAS Name: 4-[(5-bromo-2-thiophenyl)-oxomethyl]-1-[(1-pyridin-4-yl-4-piperidinyl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 4-(5-bromothiophene-2-carbonyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Traditional Name: 4-(5-bromothiophene-2-carbonyl)-1-[[1-(4-pyridyl)-4-piperidyl]methyl]-3,5-dihydro-1,4-benzodiazepin-2-one Formula: C25H25BrN4O2S MolecularWeight: 525.4606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=CC=C(S4)Br)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCC1CN2C(=O)CN(CC3=CC=CC=C32)C(=O)C4=CC=C(S4)Br)C5=CC=NC=C5

InChI

InChI=1S/C25H25BrN4O2S/c26-23-6-5-22(33-23)25(32)29-16-19-3-1-2-4-21(19)30(24(31)17-29)15-18-9-13-28(14-10-18)20-7-11-27-12-8-20/h1-8,11-12,18H,9-10,13-17H2