3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline hydrate

Systemtic Name: 3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline hydrate Openeye Name: 3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline hydrate CAS Name: 3-[(4-methyl-1-piperazinyl)methyl]-1-phenyl-3,4-dihydroisoquinoline hydrate IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline hydrate Traditional Name: 3-[(4-methylpiperazino)methyl]-1-phenyl-3,4-dihydroisoquinoline hydrate Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2CC3=CC=CC=C3C(=N2)C4=CC=CC=C4.O

Isomeric SMILES

CN1CCN(CC1)CC2CC3=CC=CC=C3C(=N2)C4=CC=CC=C4.O

InChI

InChI=1S/C21H25N3.H2O/c1-23-11-13-24(14-12-23)16-19-15-18-9-5-6-10-20(18)21(22-19)17-7-3-2-4-8-17;/h2-10,19H,11-16H2,1H3;1H2