5-[(3-bromophenyl)carbonylamino]-N-(3-ethoxypropyl)-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: 5-[(3-bromophenyl)carbonylamino]-N-(3-ethoxypropyl)-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-5-[(3-bromobenzoyl)amino]-N-(3-ethoxypropyl)benzamide CAS Name: 5-[[(3-bromophenyl)-oxomethyl]amino]-N-(3-ethoxypropyl)-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-5-[(3-bromobenzoyl)amino]-N-(3-ethoxypropyl)benzamide Traditional Name: 2-(4-benzylpiperidino)-5-[(3-bromobenzoyl)amino]-N-(3-ethoxypropyl)benzamide Formula: C31H36BrN3O3 MolecularWeight: 578.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)Br)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOCCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)Br)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C31H36BrN3O3/c1-2-38-19-7-16-33-31(37)28-22-27(34-30(36)25-10-6-11-26(32)21-25)12-13-29(28)35-17-14-24(15-18-35)20-23-8-4-3-5-9-23/h3-6,8-13,21-22,24H,2,7,14-20H2,1H3,(H,33,37)(H,34,36)