azepan-1-yl-[5-[(phenylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-[(phenylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-(benzylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[(phenylmethyl)amino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-(benzylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-(benzylamino)-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C24H32N4O MolecularWeight: 392.53708

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)NCC3=CC=CC=C3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(CC(CC2)NCC3=CC=CC=C3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H32N4O/c1-2-14-28-22-13-12-20(25-18-19-10-6-5-7-11-19)17-21(22)23(26-28)24(29)27-15-8-3-4-9-16-27/h2,5-7,10-11,20,25H,1,3-4,8-9,12-18H2