N-[3,3-dimethyl-1-[(2S)-oxolan-2-yl]carbonyl-2H-indol-6-yl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide

Systemtic Name: N-[3,3-dimethyl-1-[(2S)-oxolan-2-yl]carbonyl-2H-indol-6-yl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide Openeye Name: N-[3,3-dimethyl-1-[(2S)-tetrahydrofuran-2-carbonyl]indolin-6-yl]-2-(7-isoquinolylamino)pyridine-3-carboxamide CAS Name: N-[3,3-dimethyl-1-[oxo-[(2S)-2-oxolanyl]methyl]-2H-indol-6-yl]-2-(7-isoquinolinylamino)-3-pyridinecarboxamide IUPAC Name: N-[3,3-dimethyl-1-[(2S)-oxolane-2-carbonyl]-2H-indol-6-yl]-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide Traditional Name: N-[3,3-dimethyl-1-[(2S)-tetrahydrofuran-2-carbonyl]indolin-6-yl]-2-(7-isoquinolylamino)nicotinamide Formula: C30H29N5O3 MolecularWeight: 507.58296

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=CC5=C(C=C4)C=CN=C5)C(=O)C6CCCO6)C

Isomeric SMILES

CC1(CN(C2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NC4=CC5=C(C=C4)C=CN=C5)C(=O)[C@@H]6CCCO6)C

InChI

InChI=1S/C30H29N5O3/c1-30(2)18-35(29(37)26-6-4-14-38-26)25-16-22(9-10-24(25)30)34-28(36)23-5-3-12-32-27(23)33-21-8-7-19-11-13-31-17-20(19)15-21/h3,5,7-13,15-17,26H,4,6,14,18H2,1-2H3,(H,32,33)(H,34,36)/t26-/m0/s1