N-[5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]butanamide

Systemtic Name: N-[5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]butanamide Openeye Name: N-[5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]butanamide CAS Name: N-[5-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]butanamide IUPAC Name: N-[5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]butanamide Traditional Name: N-[5-[3-[(4-methylpiperazino)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]butyramide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CNC2=NC=C(C=C12)C3=CC(=CC=C3)CN4CCN(CC4)C

Isomeric SMILES

CCCC(=O)NC1=CNC2=NC=C(C=C12)C3=CC(=CC=C3)CN4CCN(CC4)C

InChI

InChI=1S/C23H29N5O/c1-3-5-22(29)26-21-15-25-23-20(21)13-19(14-24-23)18-7-4-6-17(12-18)16-28-10-8-27(2)9-11-28/h4,6-7,12-15H,3,5,8-11,16H2,1-2H3,(H,24,25)(H,26,29)