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

Systemtic Name: 5-[(2,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-5-[(2,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)benzamide CAS Name: 5-[[(2,4-dichloroanilino)-oxomethyl]amino]-N-(3-methoxypropyl)-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-5-[(2,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)benzamide Traditional Name: 2-(4-benzylpiperazino)-5-[(2,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)benzamide Formula: C29H33Cl2N5O3 MolecularWeight: 570.51002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33Cl2N5O3/c1-39-17-5-12-32-28(37)24-19-23(33-29(38)34-26-10-8-22(30)18-25(26)31)9-11-27(24)36-15-13-35(14-16-36)20-21-6-3-2-4-7-21/h2-4,6-11,18-19H,5,12-17,20H2,1H3,(H,32,37)(H2,33,34,38)