5-(butylcarbamoylamino)-N-(2-morpholin-4-ylethyl)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: 5-(butylcarbamoylamino)-N-(2-morpholin-4-ylethyl)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-(butylcarbamoylamino)-N-(2-morpholinoethyl)benzamide CAS Name: 5-[[butylamino(oxo)methyl]amino]-N-[2-(4-morpholinyl)ethyl]-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-(butylcarbamoylamino)-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 2-(4-benzylpiperazino)-5-(butylcarbamoylamino)-N-(2-morpholinoethyl)benzamide Formula: C29H42N6O3 MolecularWeight: 522.68218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NCCN4CCOCC4

Isomeric SMILES

CCCCNC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C29H42N6O3/c1-2-3-11-31-29(37)32-25-9-10-27(26(22-25)28(36)30-12-13-33-18-20-38-21-19-33)35-16-14-34(15-17-35)23-24-7-5-4-6-8-24/h4-10,22H,2-3,11-21,23H2,1H3,(H,30,36)(H2,31,32,37)