N-(1-adamantylmethyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C24H33N3O3/c1-16-3-2-6-26(14-16)21-5-4-20(10-22(21)27(29)30)23(28)25-15-24-11-17-7-18(12-24)9-19(8-17)13-24/h4-5,10,16-19H,2-3,6-9,11-15H2,1H3,(H,25,28)/t16-,17?,18?,19?,24?/m0/s1