13-cyclohexyl-6-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-6-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-6-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-6-[4-(dimethylamino)-2-pyrimidinyl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-6-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-6-[4-(dimethylamino)pyrimidin-2-yl]-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C31H32N4O3 MolecularWeight: 508.61078

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC=C1)C2=CC3=C(C=CC(=C3)OC)C4=C(C5=C(N4C2)C=C(C=C5)C(=O)O)C6CCCCC6

Isomeric SMILES

CN(C)C1=NC(=NC=C1)C2=CC3=C(C=CC(=C3)OC)C4=C(C5=C(N4C2)C=C(C=C5)C(=O)O)C6CCCCC6

InChI

InChI=1S/C31H32N4O3/c1-34(2)27-13-14-32-30(33-27)22-15-21-16-23(38-3)10-12-24(21)29-28(19-7-5-4-6-8-19)25-11-9-20(31(36)37)17-26(25)35(29)18-22/h9-17,19H,4-8,18H2,1-3H3,(H,36,37)