N-[(1R)-1-(1-adamantyl)ethyl]-4-(azepan-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(azepan-1-yl)-3-nitro-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(azepan-1-yl)-3-nitro-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(1-azepanyl)-3-nitrobenzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(azepan-1-yl)-3-nitrobenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(azepan-1-yl)-3-nitro-benzamide Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)N5CCCCCC5)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)N5CCCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H35N3O3/c1-17(25-14-18-10-19(15-25)12-20(11-18)16-25)26-24(29)21-6-7-22(23(13-21)28(30)31)27-8-4-2-3-5-9-27/h6-7,13,17-20H,2-5,8-12,14-16H2,1H3,(H,26,29)/t17-,18?,19?,20?,25?/m1/s1