azepan-1-yl-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-pyrazol-4-yl]methanone Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C3CCC4=CC=CC=C4C3=N2)C(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=NN1C2=NC=C3CCC4=CC=CC=C4C3=N2)C(=O)N5CCCCCC5

InChI

InChI=1S/C23H25N5O/c1-16-20(22(29)27-12-6-2-3-7-13-27)15-25-28(16)23-24-14-18-11-10-17-8-4-5-9-19(17)21(18)26-23/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3