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

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC(C)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)N[C@@H](C)C34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C25H35N3O3/c1-16-4-3-7-27(15-16)22-6-5-21(11-23(22)28(30)31)24(29)26-17(2)25-12-18-8-19(13-25)10-20(9-18)14-25/h5-6,11,16-20H,3-4,7-10,12-15H2,1-2H3,(H,26,29)/t16-,17-,18?,19?,20?,25?/m0/s1