2-[[6-[[4-(diphenylmethyl)piperazin-1-yl]methyl]pyridin-3-yl]carbonylamino]ethyl nitrate

Systemtic Name: 2-[[6-[[4-(diphenylmethyl)piperazin-1-yl]methyl]pyridin-3-yl]carbonylamino]ethyl nitrate Openeye Name: 2-[[6-[(4-benzhydrylpiperazin-1-yl)methyl]pyridine-3-carbonyl]amino]ethyl nitrate CAS Name: nitric acid 2-[[[6-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-3-pyridinyl]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[[6-[(4-benzhydrylpiperazin-1-yl)methyl]pyridine-3-carbonyl]amino]ethyl nitrate Traditional Name: nitric acid 2-[[6-[(4-benzhydrylpiperazino)methyl]nicotinoyl]amino]ethyl ester Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC=C(C=C2)C(=O)NCCO[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=NC=C(C=C2)C(=O)NCCO[N+](=O)[O-])C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O4/c32-26(27-13-18-35-31(33)34)23-11-12-24(28-19-23)20-29-14-16-30(17-15-29)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,19,25H,13-18,20H2,(H,27,32)