2-[(3-chloranyl-4-methoxy-phenyl)amino]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)amino]-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3-chloro-4-methoxy-anilino)propan-1-one CAS Name: 2-(3-chloro-4-methoxyanilino)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3-chloro-4-methoxyanilino)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(3-chloro-4-methoxy-anilino)propan-1-one Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-16(23-18-8-9-20(27-2)19(22)14-18)21(26)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-9,14,16,23H,10-13,15H2,1-2H3