5-(1,3-benzodioxol-5-yl)-2-chloranyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-chloranyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-2-chloro-N-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-3-pyridinecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-chloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-chloro-N-[4-[(4-methylpiperazino)methyl]phenyl]nicotinamide Formula: C25H25ClN4O3 MolecularWeight: 464.944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(N=CC(=C3)C4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(N=CC(=C3)C4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C25H25ClN4O3/c1-29-8-10-30(11-9-29)15-17-2-5-20(6-3-17)28-25(31)21-12-19(14-27-24(21)26)18-4-7-22-23(13-18)33-16-32-22/h2-7,12-14H,8-11,15-16H2,1H3,(H,28,31)