methyl (2R,3S)-2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]-3-methyl-pentanoate

Systemtic Name: methyl (2R,3S)-2-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-4H-isoquinolin-4-yl]methylideneamino]-3-methyl-pentanoate Openeye Name: methyl (2R,3S)-2-[[1,3-dioxo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]-3-methyl-pentanoate CAS Name: (2R,3S)-2-[[1,3-dioxo-2-(2-pyridinyl)-4H-isoquinolin-4-yl]methylideneamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-[(1,3-dioxo-2-pyridin-2-yl-4H-isoquinolin-4-yl)methylideneamino]-3-methylpentanoate Traditional Name: (2R,3S)-2-[[1,3-diketo-2-(2-pyridyl)-4H-isoquinolin-4-yl]methyleneamino]-3-methyl-valeric acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

Isomeric SMILES

CC[C@H](C)[C@H](C(=O)OC)N=CC1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=N3

InChI

InChI=1S/C22H23N3O4/c1-4-14(2)19(22(28)29-3)24-13-17-15-9-5-6-10-16(15)20(26)25(21(17)27)18-11-7-8-12-23-18/h5-14,17,19H,4H2,1-3H3/t14-,17?,19+/m0/s1