5-[(4-bromophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: 5-[(4-bromophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-[(4-bromophenyl)carbamoylamino]-N-(3-methoxypropyl)benzamide CAS Name: 5-[[(4-bromoanilino)-oxomethyl]amino]-N-(3-methoxypropyl)-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-[(4-bromophenyl)carbamoylamino]-N-(3-methoxypropyl)benzamide Traditional Name: 2-(4-benzylpiperazino)-5-[(4-bromophenyl)carbamoylamino]-N-(3-methoxypropyl)benzamide Formula: C29H34BrN5O3 MolecularWeight: 580.51596

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)Br)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COCCCNC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)Br)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H34BrN5O3/c1-38-19-5-14-31-28(36)26-20-25(33-29(37)32-24-10-8-23(30)9-11-24)12-13-27(26)35-17-15-34(16-18-35)21-22-6-3-2-4-7-22/h2-4,6-13,20H,5,14-19,21H2,1H3,(H,31,36)(H2,32,33,37)