N-[2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]pyridine-4-carboxamide

Systemtic Name: N-[2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]pyridine-4-carboxamide Openeye Name: N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-4-carboxamide CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-4-carboxamide Traditional Name: N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]isonicotinamide Formula: C26H32N6O3 MolecularWeight: 476.57068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=NC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC=NC=C5

InChI

InChI=1S/C26H32N6O3/c33-24(19-6-8-27-9-7-19)29-22-18-21(26(35)32-14-10-28-11-15-32)4-5-23(22)30-12-1-13-31(17-16-30)25(34)20-2-3-20/h4-9,18,20,28H,1-3,10-17H2,(H,29,33)