3-methoxy-N-(3-methylbut-2-enyl)-4-[3-(4-phenylpiperazin-1-yl)propoxy]aniline hydrochloride

Systemtic Name: 3-methoxy-N-(3-methylbut-2-enyl)-4-[3-(4-phenylpiperazin-1-yl)propoxy]aniline hydrochloride Openeye Name: 3-methoxy-N-(3-methylbut-2-enyl)-4-[3-(4-phenylpiperazin-1-yl)propoxy]aniline hydrochloride CAS Name: 3-methoxy-N-(3-methylbut-2-enyl)-4-[3-(4-phenyl-1-piperazinyl)propoxy]aniline hydrochloride IUPAC Name: 3-methoxy-N-(3-methylbut-2-enyl)-4-[3-(4-phenylpiperazin-1-yl)propoxy]aniline hydrochloride Traditional Name: [3-methoxy-4-[3-(4-phenylpiperazino)propoxy]phenyl]-(3-methylbut-2-enyl)amine hydrochloride Formula: C25H36ClN3O2 MolecularWeight: 446.02524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=CC(=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3)OC)C.Cl

Isomeric SMILES

CC(=CCNC1=CC(=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3)OC)C.Cl

InChI

InChI=1S/C25H35N3O2.ClH/c1-21(2)12-13-26-22-10-11-24(25(20-22)29-3)30-19-7-14-27-15-17-28(18-16-27)23-8-5-4-6-9-23;/h4-6,8-12,20,26H,7,13-19H2,1-3H3;1H