N-butan-2-yl-5-(cyclohexylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide

Systemtic Name: N-butan-2-yl-5-(cyclohexylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Openeye Name: 5-(cyclohexylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[[(cyclohexylamino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide IUPAC Name: N-butan-2-yl-5-(cyclohexylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Traditional Name: 5-(cyclohexylcarbamoylamino)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2CCCCC2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)NC2CCCCC2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C27H36N4O2/c1-3-19(2)28-26(32)24-17-23(30-27(33)29-22-11-5-4-6-12-22)13-14-25(24)31-16-15-20-9-7-8-10-21(20)18-31/h7-10,13-14,17,19,22H,3-6,11-12,15-16,18H2,1-2H3,(H,28,32)(H2,29,30,33)