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

Systemtic Name: N-(1-adamantyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(1-adamantyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N3O3/c1-15-3-2-6-25(14-15)20-5-4-19(10-21(20)26(28)29)22(27)24-23-11-16-7-17(12-23)9-18(8-16)13-23/h4-5,10,15-18H,2-3,6-9,11-14H2,1H3,(H,24,27)/t15-,16?,17?,18?,23?/m0/s1