5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3S)-2-oxo-3-azepanyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-N-[(3S)-2-ketoazepan-3-yl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide Formula: C26H28N6O3 MolecularWeight: 472.53892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=NC(=NC=C3CC2)N4C(=C(C=N4)C(=O)NC5CCCCNC5=O)C6CC6

Isomeric SMILES

COC1=CC2=C(C=C1)C3=NC(=NC=C3CC2)N4C(=C(C=N4)C(=O)N[C@H]5CCCCNC5=O)C6CC6

InChI

InChI=1S/C26H28N6O3/c1-35-18-9-10-19-16(12-18)7-8-17-13-28-26(31-22(17)19)32-23(15-5-6-15)20(14-29-32)24(33)30-21-4-2-3-11-27-25(21)34/h9-10,12-15,21H,2-8,11H2,1H3,(H,27,34)(H,30,33)/t21-/m0/s1