4-[[3-(phenylmethyl)benzotriazol-5-yl]amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide

Systemtic Name: 4-[[3-(phenylmethyl)benzotriazol-5-yl]amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Openeye Name: 4-[(3-benzylbenzotriazol-5-yl)amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide CAS Name: 4-[[3-(phenylmethyl)-5-benzotriazolyl]amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide IUPAC Name: 4-[(3-benzylbenzotriazol-5-yl)amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Traditional Name: 4-[(3-benzylbenzotriazol-5-yl)amino]-1,4,4a,8a-tetrahydroquinazoline-2-carboxamide Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)NC4C5C=CC=CC5NC(=N4)C(=O)N)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)NC4C5C=CC=CC5NC(=N4)C(=O)N)N=N2

InChI

InChI=1S/C22H21N7O/c23-20(30)22-25-17-9-5-4-8-16(17)21(26-22)24-15-10-11-18-19(12-15)29(28-27-18)13-14-6-2-1-3-7-14/h1-12,16-17,21,24H,13H2,(H2,23,30)(H,25,26)