[3-[2-[isoquinolin-7-ylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]-piperazin-1-yl-methanone

Systemtic Name: [3-[2-[isoquinolin-7-ylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]-piperazin-1-yl-methanone Openeye Name: [3-[2-[7-isoquinolylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]-piperazin-1-yl-methanone CAS Name: [3-[2-[7-isoquinolinylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]-(1-piperazinyl)methanone IUPAC Name: [3-[2-[isoquinolin-7-ylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]-piperazin-1-ylmethanone Traditional Name: [3-[2-[7-isoquinolylmethyl(methyl)amino]ethyl]-2-methyl-1H-indol-5-yl]-piperazino-methanone Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)C(=O)N3CCNCC3)CCN(C)CC4=CC5=C(C=C4)C=CN=C5

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)C(=O)N3CCNCC3)CCN(C)CC4=CC5=C(C=C4)C=CN=C5

InChI

InChI=1S/C27H31N5O/c1-19-24(8-12-31(2)18-20-3-4-21-7-9-29-17-23(21)15-20)25-16-22(5-6-26(25)30-19)27(33)32-13-10-28-11-14-32/h3-7,9,15-17,28,30H,8,10-14,18H2,1-2H3