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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)phenyl]pyridine-3-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-3-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]phenyl]nicotinamide Formula: C29H39N7O4 MolecularWeight: 549.66446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)NC4CCC(CC4)N)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C29H39N7O4/c30-23-5-7-24(8-6-23)32-27(37)21-4-9-26(25(19-21)33-28(38)22-3-1-10-31-20-22)34-11-2-12-35(14-13-34)29(39)36-15-17-40-18-16-36/h1,3-4,9-10,19-20,23-24H,2,5-8,11-18,30H2,(H,32,37)(H,33,38)