N-(3-bromophenyl)-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]propanamide

Systemtic Name: N-(3-bromophenyl)-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]propanamide Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(3-bromophenyl)propanamide CAS Name: N-(3-bromophenyl)-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]propanamide IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)anilino]-N-(3-bromophenyl)propanamide Traditional Name: 2-[4-(4-benzylpiperazino)anilino]-N-(3-bromophenyl)propionamide Formula: C26H29BrN4O MolecularWeight: 493.43866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Br)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29BrN4O/c1-20(26(32)29-24-9-5-8-22(27)18-24)28-23-10-12-25(13-11-23)31-16-14-30(15-17-31)19-21-6-3-2-4-7-21/h2-13,18,20,28H,14-17,19H2,1H3,(H,29,32)