N-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-3-nitro-pyridin-4-amine hydrate hydrochloride

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-1-yl]ethyl]-3-nitro-pyridin-4-amine hydrate hydrochloride Openeye Name: N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-nitro-pyridin-4-amine hydrate hydrochloride CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazinyl]ethyl]-3-nitro-4-pyridinamine hydrate hydrochloride IUPAC Name: N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-3-nitropyridin-4-amine hydrate hydrochloride Traditional Name: 2-(4-benzhydrylpiperazino)ethyl-(3-nitro-4-pyridyl)amine hydrate hydrochloride Formula: C24H30ClN5O3 MolecularWeight: 471.9797

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C(C=NC=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4.O.Cl

Isomeric SMILES

C1CN(CCN1CCNC2=C(C=NC=C2)[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C24H27N5O2.ClH.H2O/c30-29(31)23-19-25-12-11-22(23)26-13-14-27-15-17-28(18-16-27)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21;;/h1-12,19,24H,13-18H2,(H,25,26);1H;1H2