3-nitro-N-[1-(phenylmethyl)piperidin-4-yl]-4-pyrrolidin-1-yl-benzamide hydrochloride

Systemtic Name: 3-nitro-N-[1-(phenylmethyl)piperidin-4-yl]-4-pyrrolidin-1-yl-benzamide hydrochloride Openeye Name: N-(1-benzyl-4-piperidyl)-3-nitro-4-pyrrolidin-1-yl-benzamide hydrochloride CAS Name: 3-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-4-(1-pyrrolidinyl)benzamide hydrochloride IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide hydrochloride Traditional Name: N-(1-benzyl-4-piperidyl)-3-nitro-4-pyrrolidino-benzamide hydrochloride Formula: C23H29ClN4O3 MolecularWeight: 444.95436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C23H28N4O3.ClH/c28-23(19-8-9-21(22(16-19)27(29)30)26-12-4-5-13-26)24-20-10-14-25(15-11-20)17-18-6-2-1-3-7-18;/h1-3,6-9,16,20H,4-5,10-15,17H2,(H,24,28);1H