N-(2-butan-2-ylphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]-N-(2-sec-butylphenyl)propanamide CAS Name: N-(2-butan-2-ylphenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Traditional Name: 2-[4-(8-nitro-5-isoquinolyl)piperazino]-N-(2-sec-butylphenyl)propionamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O3/c1-4-18(2)20-7-5-6-8-23(20)28-26(32)19(3)29-13-15-30(16-14-29)24-9-10-25(31(33)34)22-17-27-12-11-21(22)24/h5-12,17-19H,4,13-16H2,1-3H3,(H,28,32)