4-[[[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amino]methyl]hepta-1,6-dien-4-ol

Systemtic Name: 4-[[[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amino]methyl]hepta-1,6-dien-4-ol Openeye Name: 4-[[[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amino]methyl]hepta-1,6-dien-4-ol CAS Name: 4-[[[1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]amino]methyl]-4-hepta-1,6-dienol IUPAC Name: 4-[[[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amino]methyl]hepta-1,6-dien-4-ol Traditional Name: 4-[[[1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]amino]methyl]hepta-1,6-dien-4-ol Formula: C24H34N4O MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)NCC(CC=C)(CC=C)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)NCC(CC=C)(CC=C)O)C

InChI

InChI=1S/C24H34N4O/c1-5-12-24(29,13-6-2)17-25-20-8-7-14-28(15-11-20)23-26-19(4)21-10-9-18(3)16-22(21)27-23/h5-6,9-10,16,20,25,29H,1-2,7-8,11-15,17H2,3-4H3