N-butan-2-yl-5-[(3-ethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

Systemtic Name: N-butan-2-yl-5-[(3-ethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Openeye Name: 5-[(3-ethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[[(3-ethylanilino)-oxomethyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]benzamide IUPAC Name: N-butan-2-yl-5-[(3-ethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide Traditional Name: 5-[(3-ethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazino]-N-sec-butyl-benzamide Formula: C31H39N5O3 MolecularWeight: 529.67306

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC)C(=O)NC(C)CC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC)C(=O)NC(C)CC

InChI

InChI=1S/C31H39N5O3/c1-5-22(3)32-30(37)26-21-25(34-31(38)33-24-11-9-10-23(6-2)20-24)14-15-27(26)35-16-18-36(19-17-35)28-12-7-8-13-29(28)39-4/h7-15,20-22H,5-6,16-19H2,1-4H3,(H,32,37)(H2,33,34,38)