azepan-1-yl-[5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

Systemtic Name: azepan-1-yl-[5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [1-allyl-5-[(4-phenylthiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[5-[(4-phenyl-2-thiazolyl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[5-[(4-phenyl-1,3-thiazol-2-yl)methylamino]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [1-allyl-5-[(4-phenylthiazol-2-yl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C27H33N5OS MolecularWeight: 475.64882

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)NCC3=NC(=CS3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCCC5

Isomeric SMILES

C=CCN1C2=C(CC(CC2)NCC3=NC(=CS3)C4=CC=CC=C4)C(=N1)C(=O)N5CCCCCC5

InChI

InChI=1S/C27H33N5OS/c1-2-14-32-24-13-12-21(28-18-25-29-23(19-34-25)20-10-6-5-7-11-20)17-22(24)26(30-32)27(33)31-15-8-3-4-9-16-31/h2,5-7,10-11,19,21,28H,1,3-4,8-9,12-18H2