[4-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-phenanthren-9-yl-methanone hydrochloride

Systemtic Name: [4-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-phenanthren-9-yl-methanone hydrochloride Openeye Name: [4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-(9-phenanthryl)methanone hydrochloride CAS Name: [4-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-(9-phenanthrenyl)methanone hydrochloride IUPAC Name: [4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-phenanthren-9-ylmethanone hydrochloride Traditional Name: [4-[2-hydroxy-3-(4-phenylpiperazino)propoxy]phenyl]-(9-phenanthryl)methanone hydrochloride Formula: C34H33ClN2O3 MolecularWeight: 553.09042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)C3=CC4=CC=CC=C4C5=CC=CC=C53)O)C6=CC=CC=C6.Cl

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)C(=O)C3=CC4=CC=CC=C4C5=CC=CC=C53)O)C6=CC=CC=C6.Cl

InChI

InChI=1S/C34H32N2O3.ClH/c37-28(23-35-18-20-36(21-19-35)27-9-2-1-3-10-27)24-39-29-16-14-25(15-17-29)34(38)33-22-26-8-4-5-11-30(26)31-12-6-7-13-32(31)33;/h1-17,22,28,37H,18-21,23-24H2;1H