N-(1-adamantylmethyl)-2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-1-oxidanylidene-isoquinoline-5-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-1-oxidanylidene-isoquinoline-5-carboxamide Openeye Name: N-(1-adamantylmethyl)-2-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: N-(1-adamantylmethyl)-2-[(2S)-1-amino-1-oxopropan-2-yl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: N-(1-adamantylmethyl)-2-[(2S)-1-amino-1-oxopropan-2-yl]-1-oxoisoquinoline-5-carboxamide Traditional Name: N-(1-adamantylmethyl)-2-[(1S)-2-amino-2-keto-1-methyl-ethyl]-1-keto-isoquinoline-5-carboxamide Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C=CC2=C(C1=O)C=CC=C2C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)N)N1C=CC2=C(C1=O)C=CC=C2C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29N3O3/c1-14(21(25)28)27-6-5-18-19(3-2-4-20(18)23(27)30)22(29)26-13-24-10-15-7-16(11-24)9-17(8-15)12-24/h2-6,14-17H,7-13H2,1H3,(H2,25,28)(H,26,29)/t14-,15?,16?,17?,24?/m0/s1