2-(phenylmethyl)-4-pyrrolidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]

Systemtic Name: 2-(phenylmethyl)-4-pyrrolidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Openeye Name: 2-benzyl-4-pyrrolidin-1-yl-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] CAS Name: 2-(phenylmethyl)-4-(1-pyrrolidinyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] IUPAC Name: 2-benzyl-4-pyrrolidin-1-ylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Traditional Name: 2-benzyl-4-pyrrolidino-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane] Formula: C28H31N3 MolecularWeight: 409.56584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC(=N4)CC5=CC=CC=C5)N6CCCC6

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=NC(=N4)CC5=CC=CC=C5)N6CCCC6

InChI

InChI=1S/C28H31N3/c1-3-11-21(12-4-1)19-24-29-26-23-14-6-5-13-22(23)20-28(15-7-2-8-16-28)25(26)27(30-24)31-17-9-10-18-31/h1,3-6,11-14H,2,7-10,15-20H2