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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-pyridin-3-ylcarbonyl-1,4-diazepan-1-yl)phenyl]pyridine-4-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-4-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(3-pyridinyl)methyl]-1,4-diazepan-1-yl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-(4-nicotinoyl-1,4-diazepan-1-yl)phenyl]isonicotinamide Formula: C30H35N7O3 MolecularWeight: 541.644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N7O3/c31-24-5-7-25(8-6-24)34-29(39)22-4-9-27(26(19-22)35-28(38)21-10-13-32-14-11-21)36-15-2-16-37(18-17-36)30(40)23-3-1-12-33-20-23/h1,3-4,9-14,19-20,24-25H,2,5-8,15-18,31H2,(H,34,39)(H,35,38)