4-azanyl-N-[1-[(4-methylcyclohexa-1,4-dien-1-yl)methyl]piperidin-4-yl]-5-nitro-2-prop-2-ynoxy-benzamide

Systemtic Name: 4-azanyl-N-[1-[(4-methylcyclohexa-1,4-dien-1-yl)methyl]piperidin-4-yl]-5-nitro-2-prop-2-ynoxy-benzamide Openeye Name: 4-amino-N-[1-[(4-methylcyclohexa-1,4-dien-1-yl)methyl]-4-piperidyl]-5-nitro-2-prop-2-ynoxy-benzamide CAS Name: 4-amino-N-[1-[(4-methyl-1-cyclohexa-1,4-dienyl)methyl]-4-piperidinyl]-5-nitro-2-prop-2-ynoxybenzamide IUPAC Name: 4-amino-N-[1-[(4-methylcyclohexa-1,4-dien-1-yl)methyl]piperidin-4-yl]-5-nitro-2-prop-2-ynoxybenzamide Traditional Name: 4-amino-N-[1-[(4-methylcyclohexa-1,4-dien-1-yl)methyl]-4-piperidyl]-5-nitro-2-propargyloxy-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=CC1)CN2CCC(CC2)NC(=O)C3=CC(=C(C=C3OCC#C)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CCC(=CC1)CN2CCC(CC2)NC(=O)C3=CC(=C(C=C3OCC#C)N)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-3-12-31-22-14-20(24)21(27(29)30)13-19(22)23(28)25-18-8-10-26(11-9-18)15-17-6-4-16(2)5-7-17/h1,4,7,13-14,18H,5-6,8-12,15,24H2,2H3,(H,25,28)