5-(butylcarbamoylamino)-N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide

Systemtic Name: 5-(butylcarbamoylamino)-N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Openeye Name: 5-(butylcarbamoylamino)-N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide CAS Name: 5-[[butylamino(oxo)methyl]amino]-N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide IUPAC Name: 5-(butylcarbamoylamino)-N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Traditional Name: 5-(butylcarbamoylamino)-N-cyclohexyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CCCCC4

Isomeric SMILES

CCCCNC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CCCCC4

InChI

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