3-[2-[4-[4-(4-azanyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)piperazin-1-yl]carbonylphenyl]ethynyl]benzamide

Systemtic Name: 3-[2-[4-[4-(4-azanyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)piperazin-1-yl]carbonylphenyl]ethynyl]benzamide Openeye Name: 3-[2-[4-[4-(4-amino-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)piperazine-1-carbonyl]phenyl]ethynyl]benzamide CAS Name: 3-[2-[4-[[4-(4-amino-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-1-piperazinyl]-oxomethyl]phenyl]ethynyl]benzamide IUPAC Name: 3-[2-[4-[4-(4-amino-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)piperazine-1-carbonyl]phenyl]ethynyl]benzamide Traditional Name: 3-[2-[4-[4-(4-amino-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)piperazine-1-carbonyl]phenyl]ethynyl]benzamide Formula: C27H26N6O2 MolecularWeight: 466.53434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC3=C(N2)C=CN=C3N)C(=O)C4=CC=C(C=C4)C#CC5=CC(=CC=C5)C(=O)N

Isomeric SMILES

C1CN(CCN1C2CC3=C(N2)C=CN=C3N)C(=O)C4=CC=C(C=C4)C#CC5=CC(=CC=C5)C(=O)N

InChI

InChI=1S/C27H26N6O2/c28-25-22-17-24(31-23(22)10-11-30-25)32-12-14-33(15-13-32)27(35)20-8-6-18(7-9-20)4-5-19-2-1-3-21(16-19)26(29)34/h1-3,6-11,16,24,31H,12-15,17H2,(H2,28,30)(H2,29,34)