N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]pyridine-3-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(2-thenoyl)-1,4-diazepan-1-yl]phenyl]nicotinamide Formula: C29H34N6O3S MolecularWeight: 546.68366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CS2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C29H34N6O3S/c30-22-7-9-23(10-8-22)32-27(36)20-6-11-25(24(18-20)33-28(37)21-4-1-12-31-19-21)34-13-3-14-35(16-15-34)29(38)26-5-2-17-39-26/h1-2,4-6,11-12,17-19,22-23H,3,7-10,13-16,30H2,(H,32,36)(H,33,37)