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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N7O4/c35-25(21-4-6-28-7-5-21)30-23-20-22(26(36)32-12-8-29-9-13-32)2-3-24(23)31-10-1-11-33(15-14-31)27(37)34-16-18-38-19-17-34/h2-7,20,29H,1,8-19H2,(H,30,35)