N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-keto-propyl]-4-nitro-benzamide Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4/c1-14(22-11-15-8-16(12-22)10-17(9-15)13-22)24-20(26)6-7-23-21(27)18-2-4-19(5-3-18)25(28)29/h2-5,14-17H,6-13H2,1H3,(H,23,27)(H,24,26)/t14-,15?,16?,17?,22?/m1/s1