3-ethoxy-4-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-2-phenyl-benzamide; methanamine

Systemtic Name: 3-ethoxy-4-[3-(4-methylpiperazin-1-yl)-3-oxidanylidene-propyl]-2-phenyl-benzamide; methanamine Openeye Name: 3-ethoxy-4-[3-(4-methylpiperazin-1-yl)-3-oxo-propyl]-2-phenyl-benzamide; methanamine CAS Name: 3-ethoxy-4-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-2-phenylbenzamide; methanamine IUPAC Name: 3-ethoxy-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-2-phenylbenzamide; methanamine Traditional Name: 3-ethoxy-4-[3-keto-3-(4-methylpiperazino)propyl]-2-phenyl-benzamide; methylamine Formula: C24H34N4O3 MolecularWeight: 426.55176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1C2=CC=CC=C2)C(=O)N)CCC(=O)N3CCN(CC3)C.CN

Isomeric SMILES

CCOC1=C(C=CC(=C1C2=CC=CC=C2)C(=O)N)CCC(=O)N3CCN(CC3)C.CN

InChI

InChI=1S/C23H29N3O3.CH5N/c1-3-29-22-18(10-12-20(27)26-15-13-25(2)14-16-26)9-11-19(23(24)28)21(22)17-7-5-4-6-8-17;1-2/h4-9,11H,3,10,12-16H2,1-2H3,(H2,24,28);2H2,1H3