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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]-4-pyridinecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]pyridine-4-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-phenylacetyl)piperazino]phenyl]isonicotinamide Formula: C30H34N6O3 MolecularWeight: 526.62936

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)NC(=O)C5=CC=NC=C5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)NC(=O)C5=CC=NC=C5

InChI

InChI=1S/C30H34N6O3/c37-28(21-23-5-2-1-3-6-23)35-19-17-34(18-20-35)27-8-7-25(30(39)36-15-4-11-31-14-16-36)22-26(27)33-29(38)24-9-12-32-13-10-24/h1-3,5-10,12-13,22,31H,4,11,14-21H2,(H,33,38)