4-hexoxy-N-[(2S)-1-[2-(4-methylpiperazin-1-yl)ethylamino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: 4-hexoxy-N-[(2S)-1-[2-(4-methylpiperazin-1-yl)ethylamino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: 4-hexoxy-N-[(1S)-1-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]butyl]benzamide CAS Name: 4-hexoxy-N-[(2S)-1-[2-(4-methyl-1-piperazinyl)ethylamino]-1-oxopentan-2-yl]benzamide IUPAC Name: 4-hexoxy-N-[(2S)-1-[2-(4-methylpiperazin-1-yl)ethylamino]-1-oxopentan-2-yl]benzamide Traditional Name: 4-hexoxy-N-[(1S)-1-[2-(4-methylpiperazino)ethylcarbamoyl]butyl]benzamide Formula: C25H42N4O3 MolecularWeight: 446.62598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(CCC)C(=O)NCCN2CCN(CC2)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N[C@@H](CCC)C(=O)NCCN2CCN(CC2)C

InChI

InChI=1S/C25H42N4O3/c1-4-6-7-8-20-32-22-12-10-21(11-13-22)24(30)27-23(9-5-2)25(31)26-14-15-29-18-16-28(3)17-19-29/h10-13,23H,4-9,14-20H2,1-3H3,(H,26,31)(H,27,30)/t23-/m0/s1