9-methoxy-4-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-5H-pyrimido[5,4-b]indole

Systemtic Name: 9-methoxy-4-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-5H-pyrimido[5,4-b]indole Openeye Name: 9-methoxy-4-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-5H-pyrimido[5,4-b]indole CAS Name: 9-methoxy-4-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-5H-pyrimido[5,4-b]indole IUPAC Name: 9-methoxy-4-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-5H-pyrimido[5,4-b]indole Traditional Name: 9-methoxy-4-(3,3,5,5-tetramethyl-1,4-dihydro-2-benzazepin-2-yl)-5H-pyrimid[5,4-b]indole Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N(CC2=CC=CC=C21)C3=NC=NC4=C3NC5=C4C(=CC=C5)OC)(C)C)C

Isomeric SMILES

CC1(CC(N(CC2=CC=CC=C21)C3=NC=NC4=C3NC5=C4C(=CC=C5)OC)(C)C)C

InChI

InChI=1S/C25H28N4O/c1-24(2)14-25(3,4)29(13-16-9-6-7-10-17(16)24)23-22-21(26-15-27-23)20-18(28-22)11-8-12-19(20)30-5/h6-12,15,28H,13-14H2,1-5H3