N-[(1S)-1-(1-adamantyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-4-methyl-benzamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-4-methyl-benzamide Openeye Name: N-[(1S)-1-(1-adamantyl)-2-(benzylamino)-2-oxo-ethyl]-4-methyl-benzamide CAS Name: N-[(1S)-1-(1-adamantyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]-4-methylbenzamide IUPAC Name: N-[(1S)-1-(1-adamantyl)-2-(benzylamino)-2-oxoethyl]-4-methylbenzamide Traditional Name: N-[(1S)-1-(1-adamantyl)-2-(benzylamino)-2-keto-ethyl]-4-methyl-benzamide Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(=O)NCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C(=O)NCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32N2O2/c1-18-7-9-23(10-8-18)25(30)29-24(26(31)28-17-19-5-3-2-4-6-19)27-14-20-11-21(15-27)13-22(12-20)16-27/h2-10,20-22,24H,11-17H2,1H3,(H,28,31)(H,29,30)/t20?,21?,22?,24-,27?/m1/s1