4-[5-ethyl-4-[(8-piperazin-1-yl-2,3-dihydropyrrolo[3,2-g]isoquinolin-1-yl)carbonyl]pyrazol-1-yl]benzenecarbonitrile

Systemtic Name: 4-[5-ethyl-4-[(8-piperazin-1-yl-2,3-dihydropyrrolo[3,2-g]isoquinolin-1-yl)carbonyl]pyrazol-1-yl]benzenecarbonitrile Openeye Name: 4-[5-ethyl-4-(8-piperazin-1-yl-2,3-dihydropyrrolo[3,2-g]isoquinoline-1-carbonyl)pyrazol-1-yl]benzonitrile CAS Name: 4-[5-ethyl-4-[oxo-[8-(1-piperazinyl)-2,3-dihydropyrrolo[3,2-g]isoquinolin-1-yl]methyl]-1-pyrazolyl]benzonitrile IUPAC Name: 4-[5-ethyl-4-(8-piperazin-1-yl-2,3-dihydropyrrolo[3,2-g]isoquinoline-1-carbonyl)pyrazol-1-yl]benzonitrile Traditional Name: 4-[5-ethyl-4-(8-piperazino-2,3-dihydropyrrol[3,2-g]isoquinoline-1-carbonyl)pyrazol-1-yl]benzonitrile Formula: C28H27N7O MolecularWeight: 477.56028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C#N)C(=O)N3CCC4=C3C=C5C(=C4)C=CN=C5N6CCNCC6

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C#N)C(=O)N3CCC4=C3C=C5C(=C4)C=CN=C5N6CCNCC6

InChI

InChI=1S/C28H27N7O/c1-2-25-24(18-32-35(25)22-5-3-19(17-29)4-6-22)28(36)34-12-8-21-15-20-7-9-31-27(23(20)16-26(21)34)33-13-10-30-11-14-33/h3-7,9,15-16,18,30H,2,8,10-14H2,1H3