4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]butanamide

Systemtic Name: 4-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[3-[4-(phenylmethyl)piperazin-1-yl]propyl]butanamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide CAS Name: 4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[4-(phenylmethyl)-1-piperazinyl]propyl]butanamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide Traditional Name: N-[3-(4-benzylpiperazino)propyl]-4-(3-keto-6-methyl-1,4-benzoxazin-4-yl)butyramide Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)NCCCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O3/c1-22-10-11-25-24(19-22)31(27(33)21-34-25)14-5-9-26(32)28-12-6-13-29-15-17-30(18-16-29)20-23-7-3-2-4-8-23/h2-4,7-8,10-11,19H,5-6,9,12-18,20-21H2,1H3,(H,28,32)