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

Systemtic Name: N-[2-(4-morpholin-4-ylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide CAS Name: N-[2-[4-[4-morpholinyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[2-[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]nicotinamide Formula: C27H35N7O4 MolecularWeight: 521.6113

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)N2CCOCC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CN=CC=C5

InChI

InChI=1S/C27H35N7O4/c35-25(22-3-1-6-29-20-22)30-23-19-21(26(36)32-11-7-28-8-12-32)4-5-24(23)31-9-2-10-33(14-13-31)27(37)34-15-17-38-18-16-34/h1,3-6,19-20,28H,2,7-18H2,(H,30,35)